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Compound Detail

CHEMBL2326892

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COc1ccc2nc3cc(I)ccc3c(N(C)C)c2c1

Basic Information

ChEMBL ID CHEMBL2326892
Phase Preclinical
Structure Type MOL
InChI Key PMHFLBYKNHMIBV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

378.2
MW (Da)
4.07
ALogP
3
HBA
0
HBD
25.4
PSA (Ų)
0.50
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15IN2O
MW 378.21
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -0.94

Activity Summary

Ki 1 meas. best 6.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Amyloid-beta precursor protein
CHEMBL2487
Ki 6.92 6.92 121.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23344363 10.1016/j.ejmech.2012.12.020 Amyloid-beta precursor protein 1

Data from ChEMBL 36 via Core Engine